chempirical

5-Hydroxymethyl-2′-deoxyuridine

C10H14N2O6CAS 5116-24-5258.23 g/mol

Open in Covalent MOL file
ONOHOHNOHHOO
AlcoholEtherPhenol

Properties

Molecular formula
C10H14N2O6
Molar mass
258.23 g/mol
Exact mass
258.0852 Da
Melting point
176–179 °C
logP
-1.92Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
3
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
5116-24-5
SMILES
O=c1nc(O)c(CO)cn1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
IPAVKOYJGUMINP-XLPZGREQSA-N
InChI
InChI=1S/C10H14N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2,6-8,13-15H,1,3-4H2,(H,11,16,17)/t6-,7+,8+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Thymidine, α-hydroxy-
  • Uridine, 2′-deoxy-5-(hydroxymethyl)-
  • α-Hydroxythymidine
  • 5-Hydroxymethyldeoxyuridine
  • 2′-Desoxy-5-hydroxymethyluridine
  • 2′-Deoxy-5-(hydroxymethyl)uridine
  • 5-(Hydroxymethyl)-2′-desoxyuridine

Work with 5-Hydroxymethyl-2′-deoxyuridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Edoxudine15176-29-180 % similar Telbivudine3424-98-474 % similar Thymidine50-89-574 % similar 5-Chloro-2′-deoxyuridine50-90-873 % similar Floxuridine50-91-973 % similar 5-Iodo-2′-deoxyuridine54-42-273 % similar Bromodeoxyuridine59-14-373 % similar Brivudine69304-47-870 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N1-Methylpseudouridine13860-38-3 5-Methyluridine1463-10-1 2′-O-Methyluridine2140-76-3 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-2 3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-7

Elsewhere

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